/* set (initial) dimensions of simulation volume */
printf("[sic] setting dimensions\n");
- set_dim(&md,5*LC_SI,5*LC_SI,5*LC_SI,TRUE);
+ set_dim(&md,2*LC_SI,2*LC_SI,2*LC_SI,TRUE);
/* set periodic boundary conditions in all directions */
printf("[sic] setting periodic boundary conditions\n");
create_lattice(&md,DIAMOND,LC_SI,SI,M_SI,
ATOM_ATTR_1BP|ATOM_ATTR_2BP|ATOM_ATTR_3BP|ATOM_ATTR_HB,
//ATOM_ATTR_2BP|ATOM_ATTR_HB,
- 0,5,5,5);
+ 0,2,2,2);
/* setting a nearest neighbour distance for the moldyn checks */
set_nn_dist(&md,0.25*sqrt(3.0)*LC_SI); /* diamond ! */